#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bfi s ASP 2 N 0.00 5.23 -0.26 4.31 1.47 -1.26 -5.00 116.67 121.17 1bfi s ASP 2 Ca 0.00 2.29 -0.08 0.00 1.18 0.00 0.00 52.55 55.93 1bfi s ASP 2 Cb 0.00 -2.59 -0.03 0.00 -0.34 0.00 0.00 42.92 39.96 1bfi s ASP 2 CO 0.00 -1.56 0.10 -0.76 0.68 0.00 0.00 175.17 173.63 1bfi s LEU 3 N -4.18 3.59 0.00 2.11 1.43 -1.26 -4.95 118.68 115.42 1bfi s LEU 3 Ca 0.75 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 1bfi s LEU 3 Cb -0.27 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 43.97 1bfi s LEU 3 CO 0.33 -0.03 0.90 -2.65 0.23 0.00 0.00 176.35 175.13 1bfi n PRO 4 N 4.93 0.00 0.26 1.29 -0.02 -1.26 -1.56 135.00 138.64 1bfi n PRO 4 Ca -0.16 0.40 0.09 0.00 -2.02 0.00 0.00 63.50 61.82 1bfi n PRO 4 Cb 0.52 -1.56 0.67 0.00 -0.02 0.00 0.00 33.50 33.11 1bfi n PRO 4 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1bfi h HIS 5 N 0.00 0.00 0.00 6.00 3.86 -1.98 0.31 115.15 123.34 1bfi h HIS 5 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1bfi h HIS 5 Cb 0.12 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 1bfi h HIS 5 CO 0.00 0.02 -0.12 0.45 0.86 0.00 0.00 177.93 179.14 1bfi h HIS 6 N 0.00 0.00 -3.48 2.45 3.86 -1.69 -3.40 115.15 112.88 1bfi h HIS 6 Ca -0.00 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.60 1bfi h HIS 6 Cb 0.04 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.39 1bfi h HIS 6 CO 0.00 0.12 0.12 -0.51 0.86 0.00 0.00 177.93 178.53 1bfi s ASP 7 N -5.98 6.57 0.35 2.45 1.01 0.11 -4.93 116.67 116.25 1bfi s ASP 7 Ca -0.01 0.70 0.11 0.00 0.71 0.00 0.00 52.55 54.06 1bfi s ASP 7 Cb 0.11 -2.33 0.66 0.00 1.01 0.00 0.00 42.92 42.37 1bfi s ASP 7 CO 0.58 -0.34 1.80 -0.08 0.21 0.00 0.00 175.17 177.34 1bfi h GLU 8 N 7.84 0.07 -0.14 8.23 4.81 -1.81 -2.92 114.58 130.67 1bfi h GLU 8 Ca -0.28 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.89 1bfi h GLU 8 Cb 1.13 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1bfi h GLU 8 CO 0.76 0.43 -0.09 0.87 -0.73 0.00 0.00 179.01 180.26 1bfi h LYS 9 N 0.06 0.20 0.00 1.92 6.56 -1.90 0.84 116.57 124.25 1bfi h LYS 9 Ca 0.01 -0.04 -0.07 0.00 -1.06 0.00 0.00 60.65 59.49 1bfi h LYS 9 Cb 0.68 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.30 1bfi h LYS 9 CO 0.05 0.31 -0.31 1.79 -2.06 0.00 0.00 179.45 179.22 1bfi h THR 10 N 0.20 1.19 0.00 -0.16 1.35 -1.58 -3.29 112.91 110.63 1bfi h THR 10 Ca 0.04 -1.09 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 1bfi h THR 10 Cb 0.29 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1bfi h THR 10 CO 0.01 0.31 0.00 -2.67 -0.25 0.00 0.00 175.52 172.92 1bfi n TRP 11 N -4.12 0.00 -3.47 4.73 4.27 -1.06 0.55 117.44 118.34 1bfi n TRP 11 Ca -0.02 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.20 1bfi n TRP 11 Cb 0.36 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.21 1bfi n TRP 11 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 1bfi s ASN 12 N -0.72 6.14 0.00 -0.67 3.04 0.29 0.27 114.94 123.29 1bfi s ASN 12 Ca 0.00 -0.02 0.19 0.00 0.04 0.00 0.00 52.86 53.08 1bfi s ASN 12 Cb 0.00 -2.17 0.32 0.00 -1.54 0.00 0.00 41.25 37.86 1bfi s ASN 12 CO 0.00 -0.19 1.12 1.33 -3.04 0.00 0.00 177.10 176.33 1bfi n VAL 13 N 5.13 0.00 -0.64 -5.21 0.24 -0.87 -4.62 118.33 112.37 1bfi n VAL 13 Ca -0.11 -0.75 0.50 0.00 -2.04 0.00 0.00 64.34 61.94 1bfi n VAL 13 Cb 0.51 0.87 0.80 0.00 -1.47 0.00 0.00 33.84 34.55 1bfi n VAL 13 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1bfi h GLY 14 N 0.75 0.12 1.52 7.63 0.00 -1.90 1.87 103.07 113.07 1bfi h GLY 14 Ca -0.18 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.15 1bfi h GLY 14 CO 0.07 -0.04 0.31 0.23 0.00 0.00 0.00 176.54 177.11 1bfi h SER 15 N 0.01 0.53 -3.98 0.19 0.87 -1.92 -3.43 113.55 105.81 1bfi h SER 15 Ca 0.88 -0.01 -0.54 0.00 -1.23 0.00 0.00 61.79 60.89 1bfi h SER 15 Cb 3.49 -0.13 0.12 0.00 -0.44 0.00 0.00 62.40 65.43 1bfi h SER 15 CO -0.05 0.38 0.72 -0.44 -0.53 0.00 0.00 176.83 176.91 1bfi s SER 16 N -6.61 5.96 0.67 6.23 0.01 0.64 -4.99 113.70 115.61 1bfi s SER 16 Ca -0.09 2.96 -0.11 0.00 1.31 0.00 0.00 55.95 60.02 1bfi s SER 16 Cb 0.18 -2.66 -0.01 0.00 0.21 0.00 0.00 66.02 63.74 1bfi s SER 16 CO 0.74 -1.12 1.07 0.21 0.41 0.00 0.00 173.24 174.55 1bfi s ASN 17 N -0.42 5.79 0.19 2.44 2.47 -1.26 -4.84 114.94 119.30 1bfi s ASN 17 Ca 0.59 1.27 -0.11 0.00 0.42 0.00 0.00 52.86 55.03 1bfi s ASN 17 Cb -0.44 -2.18 0.17 0.00 -1.45 0.00 0.00 41.25 37.35 1bfi s ASN 17 CO 0.58 -1.14 1.80 -0.09 -3.72 0.00 0.00 177.10 174.53 1bfi h ARG 18 N -0.51 0.59 -0.84 0.43 2.43 -1.94 0.51 114.38 115.04 1bfi h ARG 18 Ca -0.45 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.67 1bfi h ARG 18 Cb 1.22 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 1bfi h ARG 18 CO 0.63 0.39 0.45 -0.97 -1.51 0.00 0.00 179.97 178.96 1bfi h ASN 19 N 0.60 1.06 0.23 -3.80 -0.00 -2.02 -0.82 115.58 110.84 1bfi h ASN 19 Ca 0.25 -0.10 -0.03 0.00 -0.00 0.00 0.00 56.30 56.43 1bfi h ASN 19 Cb 0.13 -0.27 -0.00 0.00 -0.00 0.00 0.00 38.32 38.18 1bfi h ASN 19 CO -0.16 0.86 -0.15 0.50 -0.00 0.00 0.00 177.43 178.49 1bfi h LYS 20 N 1.18 0.00 -0.48 6.67 1.63 -1.47 -2.54 116.57 121.56 1bfi h LYS 20 Ca 0.30 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.08 1bfi h LYS 20 Cb 0.04 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 1bfi h LYS 20 CO -0.05 0.15 0.25 0.00 -3.45 0.00 0.00 179.45 176.35 1bfi h ALA 21 N 1.85 0.62 -0.85 5.00 0.00 0.55 0.14 119.26 126.57 1bfi h ALA 21 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1bfi h ALA 21 Cb 0.30 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1bfi h ALA 21 CO 0.02 0.16 0.53 0.93 0.00 0.00 0.00 179.25 180.89 1bfi h GLU 22 N 0.64 1.15 -0.83 0.00 5.08 -1.41 0.66 114.58 119.87 1bfi h GLU 22 Ca 0.17 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1bfi h GLU 22 Cb 0.08 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 1bfi h GLU 22 CO -0.02 0.79 0.53 -0.91 -1.00 0.00 0.00 179.01 178.39 1bfi h ASN 23 N 1.17 0.97 0.39 1.42 -0.26 -1.28 1.98 115.58 119.97 1bfi h ASN 23 Ca 0.31 -0.04 -0.07 0.00 -0.56 0.00 0.00 56.30 55.94 1bfi h ASN 23 Cb -0.08 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 36.93 1bfi h ASN 23 CO -0.06 0.72 -0.34 -0.07 -1.06 0.00 0.00 177.43 176.62 1bfi h LEU 24 N 1.13 0.00 0.00 1.61 3.38 0.92 -1.90 115.31 120.45 1bfi h LEU 24 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1bfi h LEU 24 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1bfi h LEU 24 CO -0.06 0.34 -0.69 0.18 0.09 0.00 0.00 178.44 178.30 1bfi n LEU 25 N -4.04 0.65 -4.72 1.67 4.77 0.22 -4.59 117.00 110.95 1bfi n LEU 25 Ca -0.02 0.15 -0.39 0.00 -0.03 0.00 0.00 56.01 55.72 1bfi n LEU 25 Cb 0.39 -0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 1bfi n LEU 25 CO 0.38 -0.01 0.32 -0.13 -1.33 0.00 0.00 177.39 176.62 1bfi s ARG 26 N -3.15 4.40 0.00 3.23 0.52 0.65 -3.72 118.95 120.88 1bfi s ARG 26 Ca 0.06 0.73 0.00 0.00 -0.52 0.00 0.00 55.73 56.01 1bfi s ARG 26 Cb 0.14 -3.45 0.00 0.00 0.52 0.00 0.00 34.95 32.17 1bfi s ARG 26 CO 0.73 0.09 0.00 0.41 0.02 0.00 0.00 175.30 176.55 1bfi n GLY 27 N 3.17 0.81 3.65 -3.53 0.00 -1.26 -4.87 105.19 103.16 1bfi n GLY 27 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1bfi n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bfi s LYS 28 N -0.16 3.90 0.57 1.61 1.02 -1.24 -5.07 119.74 120.37 1bfi s LYS 28 Ca 0.00 -0.33 -0.21 0.00 0.02 0.00 0.00 55.97 55.45 1bfi s LYS 28 Cb 0.00 -3.19 -0.04 0.00 -0.52 0.00 0.00 37.83 34.08 1bfi s LYS 28 CO 0.00 0.33 1.34 0.50 -0.92 0.00 0.00 175.35 176.60 1bfi s ARG 29 N 0.21 2.98 0.65 1.68 3.52 -1.26 -4.91 118.95 121.83 1bfi s ARG 29 Ca 0.04 2.19 -0.17 0.00 -0.13 0.00 0.00 55.73 57.66 1bfi s ARG 29 Cb -0.12 -2.14 -0.06 0.00 -1.56 0.00 0.00 34.95 31.06 1bfi s ARG 29 CO 0.00 -1.30 0.52 -0.25 -0.81 0.00 0.00 175.30 173.46 1bfi n ASP 30 N -1.27 -1.15 0.00 -2.12 8.00 -1.26 -2.63 116.55 116.13 1bfi n ASP 30 Ca 0.12 0.66 0.00 0.00 0.71 0.00 0.00 54.79 56.28 1bfi n ASP 30 Cb 0.46 -1.19 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 1bfi n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bfi n GLY 31 N 1.73 3.01 3.71 0.44 0.00 -0.90 -4.97 105.19 108.21 1bfi n GLY 31 Ca 0.11 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 1bfi n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bfi s THR 32 N -1.25 3.26 0.09 2.61 2.01 -1.08 -2.75 115.64 118.53 1bfi s THR 32 Ca 0.00 0.84 -0.00 0.00 0.31 0.00 0.00 61.69 62.83 1bfi s THR 32 Cb 0.00 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1bfi s THR 32 CO 0.00 0.04 -0.01 0.72 -0.69 0.00 0.00 174.62 174.68 1bfi s PHE 33 N 1.60 0.72 0.12 4.92 -0.71 -0.58 -1.91 117.98 122.14 1bfi s PHE 33 Ca 0.67 -1.09 0.01 0.00 -1.04 0.00 0.00 56.93 55.47 1bfi s PHE 33 Cb -0.37 -0.45 -0.04 0.00 -1.21 0.00 0.00 43.02 40.94 1bfi s PHE 33 CO 0.30 -0.37 -0.01 -0.48 -1.34 0.00 0.00 175.22 173.32 1bfi s LEU 34 N -2.99 2.18 -0.10 -1.99 2.34 0.22 -2.40 118.68 115.94 1bfi s LEU 34 Ca 0.14 -1.11 0.03 0.00 0.06 0.00 0.00 54.13 53.24 1bfi s LEU 34 Cb 0.07 0.08 -0.01 0.00 -0.56 0.00 0.00 46.19 45.77 1bfi s LEU 34 CO -0.05 -0.59 -0.21 -0.69 -1.06 0.00 0.00 176.35 173.75 1bfi s VAL 35 N -3.80 2.37 0.23 1.48 1.01 0.76 -0.92 120.40 121.54 1bfi s VAL 35 Ca 0.18 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1bfi s VAL 35 Cb 0.07 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 1bfi s VAL 35 CO -0.01 0.55 0.14 -2.11 0.00 0.00 0.00 175.10 173.67 1bfi n ARG 36 N 3.39 0.47 -3.34 2.72 1.85 -0.09 -2.05 116.66 119.61 1bfi n ARG 36 Ca -0.18 -2.11 -0.18 0.00 -1.00 0.00 0.00 57.85 54.37 1bfi n ARG 36 Cb 0.53 1.45 -0.00 0.00 -1.05 0.00 0.00 32.46 33.38 1bfi n ARG 36 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 1bfi s GLU 37 N -2.90 3.03 0.00 2.89 -1.05 -1.26 -1.06 118.70 118.35 1bfi s GLU 37 Ca 0.19 -1.08 0.04 0.00 -0.15 0.00 0.00 54.97 53.97 1bfi s GLU 37 Cb 0.01 -2.80 0.22 0.00 -0.44 0.00 0.00 34.13 31.12 1bfi s GLU 37 CO 0.14 -0.03 0.95 0.43 0.95 0.00 0.00 175.26 177.70 1bfi n SER 38 N -1.70 0.00 0.00 0.83 7.64 0.57 -4.62 113.62 116.34 1bfi n SER 38 Ca 0.02 -1.47 0.00 0.00 1.01 0.00 0.00 58.87 58.43 1bfi n SER 38 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1bfi n SER 38 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1bfi n SER 39 N -0.57 0.00 -0.24 6.43 7.64 -1.26 -4.20 113.62 121.41 1bfi n SER 39 Ca 0.03 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.04 1bfi n SER 39 Cb 0.01 0.00 0.34 0.00 -1.01 0.00 0.00 64.21 63.55 1bfi n SER 39 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1bfi n LYS 40 N 0.00 0.79 -3.62 1.43 5.02 -1.26 -4.87 118.16 115.65 1bfi n LYS 40 Ca 0.00 -0.48 -0.37 0.00 -2.02 0.00 0.00 58.31 55.43 1bfi n LYS 40 Cb 0.00 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.46 1bfi n LYS 40 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1bfi s GLN 41 N -2.55 3.88 0.00 1.97 -0.21 -1.26 -4.92 119.66 116.57 1bfi s GLN 41 Ca 0.23 0.17 0.00 0.00 0.02 0.00 0.00 55.36 55.77 1bfi s GLN 41 Cb 0.19 -3.27 0.00 0.00 1.00 0.00 0.00 33.01 30.93 1bfi s GLN 41 CO 0.54 0.58 0.16 0.41 -2.12 0.00 0.00 175.29 174.86 1bfi n GLY 42 N 2.33 0.52 3.65 3.09 0.00 -1.26 -3.96 105.19 109.56 1bfi n GLY 42 Ca -0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 1bfi n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bfi s TYR 44 N -2.30 2.25 -0.01 0.00 2.02 -1.14 -0.31 117.35 117.86 1bfi s TYR 44 Ca 0.31 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.63 1bfi s TYR 44 Cb -0.07 -1.22 0.01 0.00 -0.40 0.00 0.00 41.96 40.29 1bfi s TYR 44 CO 0.20 0.32 0.01 0.00 -1.57 0.00 0.00 175.55 174.50 1bfi s ALA 45 N -1.07 0.10 -0.20 3.71 0.00 -0.23 0.23 121.76 124.31 1bfi s ALA 45 Ca 0.13 0.12 -0.05 0.00 0.00 0.00 0.00 51.96 52.15 1bfi s ALA 45 Cb -0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 1bfi s ALA 45 CO 0.06 -0.04 0.01 0.00 0.00 0.00 0.00 175.76 175.79 1bfi s SER 47 N 0.98 4.78 0.17 0.00 1.04 -0.10 -0.58 113.70 119.99 1bfi s SER 47 Ca 0.02 0.01 0.06 0.00 0.48 0.00 0.00 55.95 56.52 1bfi s SER 47 Cb -0.14 -1.25 -0.04 0.00 0.10 0.00 0.00 66.02 64.68 1bfi s SER 47 CO 0.02 0.36 -0.12 0.54 0.98 0.00 0.00 173.24 175.02 1bfi s VAL 48 N -0.79 1.43 -0.12 5.02 0.11 0.28 -0.61 120.40 125.72 1bfi s VAL 48 Ca 0.12 -2.11 -0.12 0.00 -2.93 0.00 0.00 61.98 56.94 1bfi s VAL 48 Cb -0.11 -1.92 -0.05 0.00 -1.53 0.00 0.00 36.38 32.77 1bfi s VAL 48 CO 0.02 -0.66 0.27 -0.69 -3.33 0.00 0.00 175.10 170.71 1bfi s VAL 49 N -3.11 5.30 0.05 2.04 1.01 -0.80 0.19 120.40 125.08 1bfi s VAL 49 Ca 0.19 0.52 0.07 0.00 0.00 0.00 0.00 61.98 62.76 1bfi s VAL 49 Cb 0.01 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 1bfi s VAL 49 CO 0.03 0.48 -0.20 -0.69 0.00 0.00 0.00 175.10 174.72 1bfi s VAL 50 N -0.16 1.60 0.66 2.92 1.01 -0.50 -2.13 120.40 123.80 1bfi s VAL 50 Ca 0.17 -1.21 0.11 0.00 0.00 0.00 0.00 61.98 61.05 1bfi s VAL 50 Cb -0.13 -1.40 0.12 0.00 0.00 0.00 0.00 36.38 34.96 1bfi s VAL 50 CO 0.05 0.15 1.30 0.44 0.00 0.00 0.00 175.10 177.04 1bfi h ASP 51 N 4.78 0.00 0.00 3.32 3.32 -1.96 0.63 116.42 126.52 1bfi h ASP 51 Ca -0.42 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 1bfi h ASP 51 Cb 1.16 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 1bfi h ASP 51 CO 0.43 0.00 -0.52 0.61 -1.72 0.00 0.00 179.24 178.04 1bfi n GLY 52 N -1.43 -0.96 3.81 2.75 0.00 -1.26 -5.07 105.19 103.03 1bfi n GLY 52 Ca 0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 1bfi n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bfi s GLU 53 N -2.24 1.58 0.31 1.61 2.02 0.21 -5.13 118.70 117.06 1bfi s GLU 53 Ca -0.15 -0.87 -0.29 0.00 0.02 0.00 0.00 54.97 53.69 1bfi s GLU 53 Cb 0.02 0.54 -0.10 0.00 0.10 0.00 0.00 34.13 34.69 1bfi s GLU 53 CO 0.22 -0.72 1.38 0.14 0.02 0.00 0.00 175.26 176.30 1bfi s VAL 54 N -3.71 2.58 -0.03 2.63 -7.23 -1.26 -1.41 120.40 111.98 1bfi s VAL 54 Ca 0.11 0.56 0.05 0.00 -1.81 0.00 0.00 61.98 60.89 1bfi s VAL 54 Cb -0.04 -3.35 -0.02 0.00 0.56 0.00 0.00 36.38 33.52 1bfi s VAL 54 CO 0.05 0.12 -0.19 -0.54 -0.31 0.00 0.00 175.10 174.23 1bfi s LYS 55 N -1.42 2.32 -0.45 4.82 -0.14 0.51 -4.87 119.74 120.51 1bfi s LYS 55 Ca 0.53 -0.81 -0.01 0.00 -1.36 0.00 0.00 55.97 54.32 1bfi s LYS 55 Cb -0.42 -2.24 0.12 0.00 -1.68 0.00 0.00 37.83 33.61 1bfi s LYS 55 CO 0.52 0.59 0.23 -1.01 -0.76 0.00 0.00 175.35 174.92 1bfi s HIS 56 N -0.72 3.54 -0.26 3.18 3.76 -1.26 -0.55 115.29 122.98 1bfi s HIS 56 Ca 0.11 -2.70 -0.11 0.00 -0.15 0.00 0.00 55.06 52.21 1bfi s HIS 56 Cb -0.10 -3.11 -0.05 0.00 1.11 0.00 0.00 32.58 30.43 1bfi s HIS 56 CO 0.01 -0.91 0.20 0.00 -0.85 0.00 0.00 174.74 173.18 1bfi s VAL 58 N 1.50 3.75 -0.16 0.00 1.01 -1.26 0.16 120.40 125.39 1bfi s VAL 58 Ca 0.08 1.76 -0.04 0.00 0.00 0.00 0.00 61.98 63.79 1bfi s VAL 58 Cb -0.15 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 1bfi s VAL 58 CO 0.08 0.42 -0.04 -0.63 0.00 0.00 0.00 175.10 174.94 1bfi s ILE 59 N -1.17 3.91 -0.30 2.22 -1.09 0.62 -4.74 121.20 120.65 1bfi s ILE 59 Ca 0.43 -0.35 0.00 0.00 -2.23 0.00 0.00 60.65 58.50 1bfi s ILE 59 Cb -0.29 -2.71 0.06 0.00 -1.58 0.00 0.00 42.46 37.94 1bfi s ILE 59 CO 0.37 0.49 -0.01 0.20 -1.23 0.00 0.00 174.94 174.76 1bfi s ASN 60 N 0.36 4.78 -0.30 3.58 0.02 -1.11 -2.89 114.94 119.37 1bfi s ASN 60 Ca -0.04 -1.46 -0.15 0.00 -1.02 0.00 0.00 52.86 50.19 1bfi s ASN 60 Cb -0.14 -1.67 -0.03 0.00 0.02 0.00 0.00 41.25 39.44 1bfi s ASN 60 CO 0.03 -0.28 0.37 -0.75 0.02 0.00 0.00 177.10 176.49 1bfi s LYS 61 N 1.16 3.82 0.23 -0.60 2.20 -1.26 0.54 119.74 125.83 1bfi s LYS 61 Ca -0.04 -0.17 -0.08 0.00 -0.36 0.00 0.00 55.97 55.33 1bfi s LYS 61 Cb -0.20 -3.72 -0.02 0.00 -1.51 0.00 0.00 37.83 32.38 1bfi s LYS 61 CO -0.03 -0.39 0.34 0.95 -0.36 0.00 0.00 175.35 175.87 1bfi s THR 62 N 2.05 0.00 0.30 3.43 -4.23 -1.24 -4.90 115.64 111.06 1bfi s THR 62 Ca 0.13 -1.64 0.02 0.00 -1.18 0.00 0.00 61.69 59.03 1bfi s THR 62 Cb -0.16 -2.32 0.29 0.00 1.34 0.00 0.00 72.50 71.65 1bfi s THR 62 CO 0.11 0.00 1.87 0.00 -0.54 0.00 0.00 174.62 176.05 1bfi h ALA 63 N 2.39 1.56 0.00 3.99 0.00 -2.04 -3.09 119.26 122.08 1bfi h ALA 63 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1bfi h ALA 63 Cb 1.25 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1bfi h ALA 63 CO 0.42 0.23 -0.50 2.41 0.00 0.00 0.00 179.25 181.81 1bfi n THR 64 N -4.56 0.00 -2.36 0.00 -1.04 -1.26 -5.04 114.28 100.02 1bfi n THR 64 Ca 0.17 -0.31 -0.01 0.00 -2.04 0.00 0.00 64.05 61.86 1bfi n THR 64 Cb 0.32 0.83 0.00 0.00 -1.82 0.00 0.00 70.33 69.66 1bfi n THR 64 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bfi n GLY 65 N 1.42 0.92 0.00 3.41 0.00 -1.17 -4.83 105.19 104.94 1bfi n GLY 65 Ca 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1bfi n GLY 65 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bfi n TYR 66 N -1.39 0.00 -0.17 1.61 9.36 0.19 -3.62 117.16 123.14 1bfi n TYR 66 Ca 0.01 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.21 1bfi n TYR 66 Cb 0.02 0.00 0.07 0.00 -0.63 0.00 0.00 39.34 38.80 1bfi n TYR 66 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1bfi h GLY 67 N 0.00 0.54 0.00 2.98 0.00 -1.89 -2.92 103.07 101.79 1bfi h GLY 67 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1bfi h GLY 67 CO 0.00 -0.16 -1.21 0.69 0.00 0.00 0.00 176.54 175.86 1bfi n PHE 68 N -5.25 0.00 -3.36 5.60 3.72 -1.26 -4.33 117.46 112.57 1bfi n PHE 68 Ca 0.06 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.22 1bfi n PHE 68 Cb 0.29 -0.17 0.03 0.00 -0.94 0.00 0.00 39.48 38.69 1bfi n PHE 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bfi n ALA 69 N -1.69 -1.11 -2.80 4.37 0.00 -1.16 -4.97 120.51 113.16 1bfi n ALA 69 Ca -0.01 0.24 -0.36 0.00 0.00 0.00 0.00 53.44 53.31 1bfi n ALA 69 Cb 0.23 -4.00 -0.08 0.00 0.00 0.00 0.00 19.45 15.59 1bfi n ALA 69 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1bfi s GLU 70 N -6.05 3.45 0.46 0.00 2.02 -1.26 -4.82 118.70 112.50 1bfi s GLU 70 Ca 0.44 -0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.17 1bfi s GLU 70 Cb -0.21 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 30.93 1bfi s GLU 70 CO 0.54 0.63 0.84 -2.30 0.02 0.00 0.00 175.26 174.99 1bfi n PRO 71 N 2.43 0.02 0.00 0.39 -0.02 -1.26 0.20 135.00 136.77 1bfi n PRO 71 Ca -0.19 0.66 0.13 0.00 -2.02 0.00 0.00 63.50 62.09 1bfi n PRO 71 Cb 0.54 -2.38 0.44 0.00 -0.02 0.00 0.00 33.50 32.09 1bfi n PRO 71 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1bfi n TYR 72 N -2.04 0.00 0.00 6.00 4.02 -1.26 -4.78 117.16 119.10 1bfi n TYR 72 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1bfi n TYR 72 Cb 0.84 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 40.10 1bfi n TYR 72 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1bfi n ASN 73 N -0.26 0.00 -2.36 7.72 2.04 0.55 -4.90 115.26 118.04 1bfi n ASN 73 Ca 0.15 0.00 -0.21 0.00 -0.44 0.00 0.00 54.58 54.08 1bfi n ASN 73 Cb 0.35 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 37.59 1bfi n ASN 73 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1bfi n LEU 74 N 0.00 -1.94 -4.65 -4.53 4.77 -1.26 -4.92 117.00 104.48 1bfi n LEU 74 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 1bfi n LEU 74 Cb 0.00 -2.95 0.08 0.00 -2.33 0.00 0.00 43.42 38.21 1bfi n LEU 74 CO 0.00 -0.26 0.64 -1.22 -1.33 0.00 0.00 177.39 175.22 1bfi n TYR 75 N -3.94 1.04 0.18 -1.77 4.01 -1.26 -4.87 117.16 110.54 1bfi n TYR 75 Ca -0.25 0.41 0.03 0.00 -0.16 0.00 0.00 57.90 57.93 1bfi n TYR 75 Cb 0.69 -2.14 0.37 0.00 -0.31 0.00 0.00 39.34 37.95 1bfi n TYR 75 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1bfi h SER 76 N 0.06 0.04 -5.10 7.72 4.64 -2.00 -3.45 113.55 115.45 1bfi h SER 76 Ca -0.48 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 60.68 1bfi h SER 76 Cb 1.34 -0.01 -0.17 0.00 -0.31 0.00 0.00 62.40 63.25 1bfi h SER 76 CO 0.49 0.36 -0.69 -0.55 -0.87 0.00 0.00 176.83 175.57 1bfi s SER 77 N -6.94 0.43 0.36 4.97 0.15 -1.26 -5.03 113.70 106.38 1bfi s SER 77 Ca -0.03 -0.80 0.05 0.00 0.70 0.00 0.00 55.95 55.87 1bfi s SER 77 Cb 0.15 0.15 0.68 0.00 -1.71 0.00 0.00 66.02 65.29 1bfi s SER 77 CO 0.72 -0.47 1.95 -0.07 1.20 0.00 0.00 173.24 176.58 1bfi h LEU 78 N 3.76 0.53 -0.92 3.45 3.38 -2.00 -1.76 115.31 121.74 1bfi h LEU 78 Ca -0.33 -0.06 0.23 0.00 0.09 0.00 0.00 57.88 57.81 1bfi h LEU 78 Cb 1.17 -0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.66 1bfi h LEU 78 CO 0.56 0.49 0.44 0.11 0.09 0.00 0.00 178.44 180.13 1bfi h LYS 79 N 0.59 0.41 -0.51 1.13 1.57 -1.95 1.23 116.57 119.03 1bfi h LYS 79 Ca 0.14 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1bfi h LYS 79 Cb 0.14 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1bfi h LYS 79 CO -0.01 0.27 0.04 0.93 -0.57 0.00 0.00 179.45 180.11 1bfi h GLU 80 N 0.42 0.83 -0.75 3.15 5.08 -1.74 -2.67 114.58 118.91 1bfi h GLU 80 Ca 0.59 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.75 1bfi h GLU 80 Cb 1.14 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 1bfi h GLU 80 CO -0.53 0.81 0.49 1.25 -1.00 0.00 0.00 179.01 180.03 1bfi h LEU 81 N 0.78 0.84 -0.32 1.33 6.46 0.16 0.36 115.31 124.92 1bfi h LEU 81 Ca 0.16 -0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.86 1bfi h LEU 81 Cb 0.42 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 1bfi h LEU 81 CO 0.01 0.60 0.02 0.58 -0.62 0.00 0.00 178.44 179.04 1bfi h VAL 82 N 0.99 1.25 -0.43 1.05 2.07 -1.01 -2.36 116.25 117.81 1bfi h VAL 82 Ca 0.28 -0.90 -0.13 0.00 0.82 0.00 0.00 66.70 66.77 1bfi h VAL 82 Cb -0.08 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1bfi h VAL 82 CO -0.07 0.29 -0.25 -0.07 0.02 0.00 0.00 177.57 177.49 1bfi h LEU 83 N 0.37 0.93 -0.54 2.57 3.38 -1.13 -2.23 115.31 118.66 1bfi h LEU 83 Ca 0.09 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1bfi h LEU 83 Cb 0.40 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1bfi h LEU 83 CO 0.01 1.13 0.13 0.45 0.09 0.00 0.00 178.44 180.25 1bfi h HIS 84 N 0.78 0.91 0.00 1.13 3.86 -0.22 -2.15 115.15 119.46 1bfi h HIS 84 Ca 0.10 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1bfi h HIS 84 Cb 0.81 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1bfi h HIS 84 CO 0.05 0.80 0.00 1.88 0.86 0.00 0.00 177.93 181.52 1bfi h TYR 85 N 0.77 0.00 -0.30 2.45 -1.99 -1.38 -2.26 116.97 114.24 1bfi h TYR 85 Ca 0.17 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.79 1bfi h TYR 85 Cb 0.35 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.06 1bfi h TYR 85 CO 0.02 0.00 -0.26 0.37 -0.00 0.00 0.00 178.16 178.29 1bfi h GLN 86 N 0.00 0.60 0.00 4.88 -0.00 -0.75 -3.02 115.11 116.82 1bfi h GLN 86 Ca 0.00 -0.24 -0.08 0.00 -0.00 0.00 0.00 58.65 58.32 1bfi h GLN 86 Cb 0.58 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.01 1bfi h GLN 86 CO 0.00 0.81 -1.43 -2.39 0.00 0.00 0.00 178.83 175.82 1bfi n HIS 87 N -4.10 0.73 -3.33 3.99 1.44 -1.11 -4.33 115.22 108.52 1bfi n HIS 87 Ca -0.00 0.23 -0.38 0.00 -2.01 0.00 0.00 57.72 55.55 1bfi n HIS 87 Cb 0.43 -0.92 -0.06 0.00 0.12 0.00 0.00 29.99 29.56 1bfi n HIS 87 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1bfi s THR 88 N -3.18 5.18 0.06 0.61 2.01 -0.87 -5.04 115.64 114.41 1bfi s THR 88 Ca -0.03 0.90 -0.30 0.00 0.31 0.00 0.00 61.69 62.56 1bfi s THR 88 Cb 0.10 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 1bfi s THR 88 CO 0.82 0.29 1.06 -0.94 -0.69 0.00 0.00 174.62 175.17 1bfi s SER 89 N 0.75 7.29 0.42 3.53 1.04 -1.26 -4.66 113.70 120.81 1bfi s SER 89 Ca 0.24 1.85 0.29 0.00 0.48 0.00 0.00 55.95 58.81 1bfi s SER 89 Cb -0.15 -2.58 1.21 0.00 0.10 0.00 0.00 66.02 64.61 1bfi s SER 89 CO 0.09 -0.28 1.86 -0.07 0.98 0.00 0.00 173.24 175.82 1bfi h LEU 90 N 6.36 0.00 -0.60 2.42 3.38 -1.24 -3.30 115.31 122.33 1bfi h LEU 90 Ca -0.42 0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.72 1bfi h LEU 90 Cb 1.22 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.85 1bfi h LEU 90 CO 0.76 0.00 0.01 0.55 0.09 0.00 0.00 178.44 179.85 1bfi n VAL 91 N -2.69 -0.25 -0.33 1.22 3.14 2.14 0.25 118.33 121.81 1bfi n VAL 91 Ca 0.01 1.32 0.35 0.00 -2.96 0.00 0.00 64.34 63.07 1bfi n VAL 91 Cb 0.26 -1.93 0.66 0.00 -1.06 0.00 0.00 33.84 31.78 1bfi n VAL 91 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 1bfi h GLN 92 N 0.00 0.00 -6.01 1.45 4.15 -1.81 0.12 115.11 113.02 1bfi h GLN 92 Ca 0.36 0.00 -0.58 0.00 0.77 0.00 0.00 58.65 59.20 1bfi h GLN 92 Cb 0.75 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.37 1bfi h GLN 92 CO -0.56 0.00 0.70 -1.01 -1.93 0.00 0.00 178.83 176.02 1bfi s HIS 93 N -4.70 3.31 0.00 3.99 3.76 0.68 -3.30 115.29 119.03 1bfi s HIS 93 Ca -0.04 1.32 0.00 0.00 -0.15 0.00 0.00 55.06 56.19 1bfi s HIS 93 Cb 0.20 -3.25 0.00 0.00 1.11 0.00 0.00 32.58 30.64 1bfi s HIS 93 CO 0.67 -0.49 0.00 0.09 -0.85 0.00 0.00 174.74 174.17 1bfi n ASN 94 N 6.28 -1.51 -1.85 1.40 5.03 -1.26 -2.59 115.26 120.76 1bfi n ASN 94 Ca 0.10 0.00 -0.18 0.00 0.87 0.00 0.00 54.58 55.37 1bfi n ASN 94 Cb 0.47 -2.57 -0.05 0.00 -1.02 0.00 0.00 39.78 36.60 1bfi n ASN 94 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1bfi n ASP 95 N -0.24 -5.01 -0.07 6.41 -0.08 0.40 -4.74 116.55 113.23 1bfi n ASP 95 Ca 0.00 0.30 0.00 0.00 -1.51 0.00 0.00 54.79 53.58 1bfi n ASP 95 Cb 0.12 -4.37 0.00 0.00 2.34 0.00 0.00 41.12 39.21 1bfi n ASP 95 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1bfi n SER 96 N -1.40 0.00 -3.83 1.67 7.64 -1.02 -4.91 113.62 111.77 1bfi n SER 96 Ca -0.20 -1.13 -0.42 0.00 1.01 0.00 0.00 58.87 58.13 1bfi n SER 96 Cb 0.62 -0.03 0.01 0.00 -1.01 0.00 0.00 64.21 63.81 1bfi n SER 96 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1bfi n LEU 97 N 0.00 6.88 -4.48 -3.43 7.99 -1.20 -4.88 117.00 117.87 1bfi n LEU 97 Ca 0.00 -5.18 -0.42 0.00 -0.01 0.00 0.00 56.01 50.41 1bfi n LEU 97 Cb 0.53 -1.27 -0.01 0.00 -0.11 0.00 0.00 43.42 42.56 1bfi n LEU 97 CO 0.00 1.80 2.02 -0.46 -1.51 0.00 0.00 177.39 179.24 1bfi n ASN 98 N 1.23 4.67 -3.53 -1.43 0.23 -1.26 0.54 115.26 115.71 1bfi n ASN 98 Ca 0.37 -2.89 -0.11 0.00 -0.53 0.00 0.00 54.58 51.42 1bfi n ASN 98 Cb 0.31 -1.73 -0.04 0.00 -2.08 0.00 0.00 39.78 36.23 1bfi n ASN 98 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1bfi s VAL 99 N 4.63 0.00 0.22 3.53 1.01 -1.26 -4.83 120.40 123.70 1bfi s VAL 99 Ca 0.54 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.56 1bfi s VAL 99 Cb 0.05 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 1bfi s VAL 99 CO 0.07 0.00 -0.03 0.42 0.00 0.00 0.00 175.10 175.56 1bfi s THR 100 N -2.01 1.14 -1.44 3.92 -4.23 -1.26 -1.79 115.64 109.97 1bfi s THR 100 Ca -0.01 -2.05 -0.13 0.00 -1.18 0.00 0.00 61.69 58.32 1bfi s THR 100 Cb -0.01 -2.25 -0.01 0.00 1.34 0.00 0.00 72.50 71.57 1bfi s THR 100 CO -0.02 -0.41 2.39 0.18 -0.54 0.00 0.00 174.62 176.22 1bfi n LEU 101 N -0.39 7.11 0.05 4.79 4.32 -1.18 -4.48 117.00 127.21 1bfi n LEU 101 Ca -0.06 -4.08 0.06 0.00 -0.02 0.00 0.00 56.01 51.90 1bfi n LEU 101 Cb 0.63 -1.59 -0.07 0.00 -1.62 0.00 0.00 43.42 40.78 1bfi n LEU 101 CO 0.36 1.24 -0.28 0.00 -1.22 0.00 0.00 177.39 177.49 1bfi n ALA 102 N 5.53 2.28 -2.57 -1.18 0.00 -1.23 -4.33 120.51 119.01 1bfi n ALA 102 Ca 0.58 -0.45 -0.29 0.00 0.00 0.00 0.00 53.44 53.28 1bfi n ALA 102 Cb 0.35 -0.95 -0.16 0.00 0.00 0.00 0.00 19.45 18.69 1bfi n ALA 102 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1bfi s TYR 103 N -3.17 2.06 0.59 0.00 2.02 -1.11 -5.01 117.35 112.74 1bfi s TYR 103 Ca -0.03 -0.49 -0.14 0.00 -0.37 0.00 0.00 57.07 56.05 1bfi s TYR 103 Cb 0.10 -1.35 -0.04 0.00 -0.40 0.00 0.00 41.96 40.27 1bfi s TYR 103 CO 0.82 -0.10 1.03 -1.25 -1.57 0.00 0.00 175.55 174.47 1bfi s PRO 104 N -0.33 3.55 -0.03 -1.71 0.04 -1.26 -1.52 135.00 133.73 1bfi s PRO 104 Ca 0.03 0.93 0.16 0.00 0.04 0.00 0.00 61.00 62.17 1bfi s PRO 104 Cb -0.10 -2.07 -0.20 0.00 0.04 0.00 0.00 34.50 32.16 1bfi s PRO 104 CO 0.01 -0.61 0.60 1.55 0.04 0.00 0.00 177.00 178.59 1bfi n VAL 105 N -2.30 1.30 -3.19 -0.36 3.14 0.19 -4.56 118.33 112.55 1bfi n VAL 105 Ca 0.07 -0.75 -0.23 0.00 -2.96 0.00 0.00 64.34 60.47 1bfi n VAL 105 Cb 0.54 -0.74 -0.05 0.00 -1.06 0.00 0.00 33.84 32.53 1bfi n VAL 105 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1bfi n TYR 106 N -2.87 1.39 -3.30 1.45 9.36 0.84 -5.01 117.16 119.02 1bfi n TYR 106 Ca -0.16 -3.84 -0.38 0.00 3.32 0.00 0.00 57.90 56.84 1bfi n TYR 106 Cb 0.96 -0.44 -0.06 0.00 -0.63 0.00 0.00 39.34 39.17 1bfi n TYR 106 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1bfi s ALA 107 N -2.25 3.60 0.31 2.98 0.00 -1.26 -3.63 121.76 121.51 1bfi s ALA 107 Ca 0.40 -0.00 -0.29 0.00 0.00 0.00 0.00 51.96 52.07 1bfi s ALA 107 Cb 0.24 -2.60 -0.11 0.00 0.00 0.00 0.00 23.12 20.65 1bfi s ALA 107 CO -0.09 0.41 1.52 1.14 0.00 0.00 0.00 175.76 178.75 1bfi s GLN 108 N -1.20 4.16 0.00 0.00 -2.07 -1.26 -4.89 119.66 114.40 1bfi s GLN 108 Ca 0.30 2.51 0.21 0.00 -1.82 0.00 0.00 55.36 56.55 1bfi s GLN 108 Cb -0.19 -3.02 -0.18 0.00 -1.09 0.00 0.00 33.01 28.52 1bfi s GLN 108 CO 0.19 -0.54 0.91 0.94 -1.32 0.00 0.00 175.29 175.47 1bfi n GLN 109 N 1.63 0.38 -2.55 9.60 7.27 -1.26 -4.92 117.38 127.53 1bfi n GLN 109 Ca 0.05 -0.18 -0.42 0.00 0.07 0.00 0.00 57.00 56.52 1bfi n GLN 109 Cb 0.39 -1.47 -0.03 0.00 2.41 0.00 0.00 30.24 31.53 1bfi n GLN 109 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 1bfi s ARG 110 N -2.85 4.50 0.00 3.69 6.06 -1.26 -5.36 118.95 123.72 1bfi s ARG 110 Ca 0.10 1.61 0.00 0.00 -2.50 0.00 0.00 55.73 54.94 1bfi s ARG 110 Cb 0.16 -3.39 0.00 0.00 0.06 0.00 0.00 34.95 31.78 1bfi s ARG 110 CO 0.79 -0.15 0.00 0.54 -2.50 0.00 0.00 175.30 173.99